Crystallography Open Database

Information card for entry 4135373

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Structure parameters

Formula	C20 H25 N3 O2
Calculated formula	C20 H25 N3 O2
Title of publication	NiH-Catalyzed Proximal-Selective Hydroamination of Unactivated Alkenes.
Authors of publication	Jeon, Jinwon; Lee, Changseok; Seo, Huiyeong; Hong, Sungwoo
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	48
Pages of publication	20470 - 20480
a	12.1484 ± 0.0005 Å
b	12.2854 ± 0.0005 Å
c	24.5486 ± 0.0009 Å
α	90°
β	98.0774 ± 0.0014°
γ	90°
Cell volume	3627.5 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0922
Residual factor for significantly intense reflections	0.0695
Weighted residual factors for significantly intense reflections	0.137
Weighted residual factors for all reflections included in the refinement	0.1463
Goodness-of-fit parameter for all reflections included in the refinement	1.138
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301835 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure.	4135373.cif
259523	2020-12-04	cif/ Updating files of 4135372, 4135373 Original log message: Adding full bibliography for 4135372--4135373.cif.	4135373.cif
259200	2020-11-20	cif/ Adding structures of 4135373 via cif-deposit CGI script.	4135373.cif